ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (9Z,12Z)-9,12-octadecadienoate | C39H74NO8P

6-Hydroxy-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC39H74NO8P
  • Average mass715.981 Da
  • Monoisotopic mass715.515198 Da
  • ChemSpider ID74850039

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9Z,12Z)-9,12-Octadécadiénoate de 6-hydroxy-6-oxydo-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
[2-(methylamino)ethoxy]({3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(pentadecanoyloxy)propoxy})phosphinic acid
2-(methylamino)ethoxy(3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(pentadecanoyloxy)propoxy)phosphinic acid
PE-NMe(18:2(9Z,12Z)/15:0)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 732.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 397.0±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.43
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 246312.88
ACD/LogD (pH 7.4): 9.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 240784.50
Polar Surface Area: 130 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 710.1±3.0 cm3

Click to predict properties on the Chemicalize site


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